N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine

C13H25N5 — CID 55226791

IUPACN,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine
SMILESCC(C)NCc1ccc(N(C)CCN(C)C)nn1
InChIInChI=1S/C13H25N5/c1-11(2)14-10-12-6-7-13(16-15-12)18(5)9-8-17(3)4/h6-7,11,14H,8-10H2,1-5H3
InChIKeyJTBKNKUUXVRMJE-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.97
Rot. Bonds7

About N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine (PubChem CID 55226791) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine
PubChem CID55226791
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine
SMILESCC(C)NCc1ccc(N(C)CCN(C)C)nn1
InChIInChI=1S/C13H25N5/c1-11(2)14-10-12-6-7-13(16-15-12)18(5)9-8-17(3)4/h6-7,11,14H,8-10H2,1-5H3
InChIKeyJTBKNKUUXVRMJE-UHFFFAOYSA-N
XLogP0.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine (CID 55226791) is N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine is CC(C)NCc1ccc(N(C)CCN(C)C)nn1.
What is the InChIKey of N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine?
The InChIKey is JTBKNKUUXVRMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)14-10-12-6-7-13(16-15-12)18(5)9-8-17(3)4/h6-7,11,14H,8-10H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[6-[(propan-2-ylamino)methyl]pyridazin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 55226791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).